N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C21H20N2O2S — CID 60543389

IUPACN-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1COc1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C21H20N2O2S/c24-21(23-12-10-20-16(14-23)11-13-26-20)22-19-9-5-4-6-17(19)15-25-18-7-2-1-3-8-18/h1-9,11,13H,10,12,14-15H2,(H,22,24)
InChIKeyZUTCPLOGCFOBQS-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.92
Rot. Bonds4

About N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 60543389) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID60543389
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1COc1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C21H20N2O2S/c24-21(23-12-10-20-16(14-23)11-13-26-20)22-19-9-5-4-6-17(19)15-25-18-7-2-1-3-8-18/h1-9,11,13H,10,12,14-15H2,(H,22,24)
InChIKeyZUTCPLOGCFOBQS-UHFFFAOYSA-N
XLogP4.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30751021
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 26003953
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-oxobutanamide
CID 55872768
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990761
N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144092
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-phenoxyphenyl)methanone
CID 42470095
(2R)-2-methyl-N-[2-(phenoxymethyl)phenyl]piperidine-1-carboxamide
CID 97092330
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-5-phenylpentanoic acid
CID 122027205
N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084885
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-methylpropanoic acid
CID 61264376
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide
CID 111537774

Frequently Asked Questions

What is the IUPAC name of N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 60543389) is N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1ccccc1COc1ccccc1)N1CCc2sccc2C1.
What is the InChIKey of N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is ZUTCPLOGCFOBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-21(23-12-10-20-16(14-23)11-13-26-20)22-19-9-5-4-6-17(19)15-25-18-7-2-1-3-8-18/h1-9,11,13H,10,12,14-15H2,(H,22,24).
What are the key properties of N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(phenoxymethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 60543389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).